2-(4-phenylmethoxyphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-phenylmethoxyphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-benzyloxyphenoxy)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(4-phenylmethoxyphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-phenylmethoxyphenoxy)ethanone Traditional Name: 2-(4-benzoxyphenoxy)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c29-26(28-17-15-27(16-18-28)19-22-7-3-1-4-8-22)21-31-25-13-11-24(12-14-25)30-20-23-9-5-2-6-10-23/h1-14H,15-21H2/p+1